[1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol

C13H19F3N4O — CID 102789841

IUPAC[1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1nc(N2CCC(C)C2CO)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-17-12-18-10(13(14,15)16)6-11(19-12)20-5-4-8(2)9(20)7-21/h6,8-9,21H,3-5,7H2,1-2H3,(H,17,18,19)
InChIKeyCRIWLWOISZWKDW-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.13
Rot. Bonds4

About [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol

[1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789841) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789841
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1nc(N2CCC(C)C2CO)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-17-12-18-10(13(14,15)16)6-11(19-12)20-5-4-8(2)9(20)7-21/h6,8-9,21H,3-5,7H2,1-2H3,(H,17,18,19)
InChIKeyCRIWLWOISZWKDW-UHFFFAOYSA-N
XLogP2.13
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (CID 102789841) is [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is CCNc1nc(N2CCC(C)C2CO)cc(C(F)(F)F)n1.
What is the InChIKey of [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is CRIWLWOISZWKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-17-12-18-10(13(14,15)16)6-11(19-12)20-5-4-8(2)9(20)7-21/h6,8-9,21H,3-5,7H2,1-2H3,(H,17,18,19).
What are the key properties of [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 304.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).